Encelin
TL;DR: Encelin (CAS 15569-50-3) is a chemical compound with molecular formula C15H16O3 and molecular weight 244.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,4aR,8aS,9aR)-8a-methyl-3,5-dimethylidene-4,4a,9,9a-tetrahydro-3aH-benzo[f][1]benzofuran-2,6-dione
Also Known As: Encelin, Dehydrofarinosin, Farinosin, dehydro-, (3aR,4aR,8aS,9aR)-8a-methyl-3,5-dimethylidene-4,4a,9,9a-tetrahydro-3aH-benzo[f][1]benzofuran-2,6-dione, (3aR,4aR,8aS,9aR)-8a-methyl-3,5-dimethylidene-4,4a,9,9a-tetr
| Molecular Formula | C15H16O3 |
|---|---|
| Molecular Weight | 244.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 244.10994 |
| Heavy Atoms | 18 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 15569-50-3 |
|---|---|
| SMILES | C[C@@]12C[C@@H]3[C@H](C[C@H]1C(=C)C(=O)C=C2)C(=C)C(=O)O3 |
| InChIKey | LXMUZMFQJGRVFW-NDPMZMCLSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Encelin (CAS 15569-50-3), with molecular formula C15H16O3 and molecular weight 244.11 g/mol. IUPAC: (3aR,4aR,8aS,9aR)-8a-methyl-3,5-dimethylidene-4,4a,9,9a-tetrahydro-3aH-benzo[f][1]benzofuran-2,6-dione.
Chemical Property Profile of Encelin
Property Insights of Encelin
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Encelin. With a topological polar surface area (TPSA) of 43.4 Ų, Encelin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Encelin has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Encelin?
The CAS number of Encelin is 15569-50-3.
What is the molecular formula of Encelin?
The molecular formula of Encelin is C15H16O3.
What is the molecular weight of Encelin?
The molecular weight of Encelin is 244.11 g/mol.
Where can I buy Encelin?
You can request a quote for Encelin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Encelin?
Yes, KEHONG BIO provides custom synthesis services for Encelin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.